1-Phenylethyl hexanoate
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1-Phenylethyl hexanoate
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CAS No:
3460-45-5
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Formula:
C14H20O2
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Chemical Name:
1-Phenylethyl hexanoate
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Synonyms:
Hexanoic acid,1-phenylethyl ester;Hexanoic acid,α-methylbenzyl ester;1-Phenylethyl hexanoate;122349-97-7
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CAS No:
Characteristics
26.30000
3.87110
0.9705 g/cm3 @ Temp: 20 °C
110-111 °C @ Press: 2.5 Torr
100.4ºC
1.491
Computed Properties
Molecular Weight:220.31
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:220.146329876
Monoisotopic Mass:220.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:195
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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